2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine

C23H27N3 — CID 112539162

IUPAC2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine
SMILESCc1c(CC(CN)c2c(C)n(C)c3ccccc23)c2ccccc2n1C
InChIInChI=1S/C23H27N3/c1-15-20(18-9-5-7-11-21(18)25(15)3)13-17(14-24)23-16(2)26(4)22-12-8-6-10-19(22)23/h5-12,17H,13-14,24H2,1-4H3
InChIKeyAEOALAIOLDNJNO-UHFFFAOYSA-N
MW345.49 g/mol
LogP4.57
Rot. Bonds4

About 2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine

2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine (PubChem CID 112539162) has the molecular formula C23H27N3 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine
PubChem CID112539162
Molecular FormulaC23H27N3
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC Name2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine
SMILESCc1c(CC(CN)c2c(C)n(C)c3ccccc23)c2ccccc2n1C
InChIInChI=1S/C23H27N3/c1-15-20(18-9-5-7-11-21(18)25(15)3)13-17(14-24)23-16(2)26(4)22-12-8-6-10-19(22)23/h5-12,17H,13-14,24H2,1-4H3
InChIKeyAEOALAIOLDNJNO-UHFFFAOYSA-N
XLogP4.57
TPSA35.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloro-6-fluorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine
CID 83976734
2-(1,2-dimethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine
CID 83976752
3-(2,3-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine
CID 112539160
(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol
CID 95438701
3-(1,2-dimethylindol-3-yl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83974234
2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine
CID 82285579
2-(1,2-dimethylindol-3-yl)-3-(3-propoxyphenyl)propan-1-amine
CID 83976755
3-amino-4-(1,2-dimethylindol-3-yl)but-1-en-2-ol;ethane
CID 153346442
2-(1,2-dimethylindol-3-yl)-2-(3-methylcyclohexyl)ethanamine
CID 83976727
2-(1,2-dimethylindol-3-yl)propanamide
CID 20667705
2-(1,2-dimethylindol-3-yl)acetamide
CID 67627690
4-[1-amino-3-(1-ethyl-2-methylindol-3-yl)propan-2-yl]phenol
CID 83975448

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine?
The IUPAC name of 2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine (CID 112539162) is 2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine.
What is the SMILES notation for 2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine?
The canonical SMILES for 2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine is Cc1c(CC(CN)c2c(C)n(C)c3ccccc23)c2ccccc2n1C.
What is the InChIKey of 2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine?
The InChIKey is AEOALAIOLDNJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3/c1-15-20(18-9-5-7-11-21(18)25(15)3)13-17(14-24)23-16(2)26(4)22-12-8-6-10-19(22)23/h5-12,17H,13-14,24H2,1-4H3.
What are the key properties of 2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine?
2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine has a molecular weight of 345.49 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine is sourced from PubChem (CID 112539162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).